1,3,4,5-tetrahydro-1,4-epoxyoxepino[3,4-b]quinoline-6-carboxylic acid
Chemical Structure Depiction of
1,3,4,5-tetrahydro-1,4-epoxyoxepino[3,4-b]quinoline-6-carboxylic acid
1,3,4,5-tetrahydro-1,4-epoxyoxepino[3,4-b]quinoline-6-carboxylic acid
Compound characteristics
| Compound ID: | 8019-4471 |
| Compound Name: | 1,3,4,5-tetrahydro-1,4-epoxyoxepino[3,4-b]quinoline-6-carboxylic acid |
| Molecular Weight: | 257.24 |
| Molecular Formula: | C14 H11 N O4 |
| Smiles: | C1C2COC(c3c1c(C(O)=O)c1ccccc1n3)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2154 |
| logD: | -1.3107 |
| logSw: | -2.5369 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.754 |
| InChI Key: | CYVRUIMQJGMZFJ-UHFFFAOYSA-N |